O5-ethyl O3-methyl 2-cyano-1-[3-methoxy-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-cyano-1-[3-methoxy-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-cyano-1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methoxy-phenyl]-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-cyano-1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenyl]-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-cyano-1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenyl]-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-cyano-1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methoxy-phenyl]-6-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C31H36N4O9 MolecularWeight: 608.63894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C#N)C3=CC(=C(C=C3)OCC(CNC(C)C)O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C#N)C3=CC(=C(C=C3)OCC(CNC(C)C)O)OC)C

InChI

InChI=1S/C31H36N4O9/c1-7-43-31(38)27-19(4)34(21-11-12-25(26(14-21)41-5)44-17-23(36)16-33-18(2)3)24(15-32)29(30(37)42-6)28(27)20-9-8-10-22(13-20)35(39)40/h8-14,18,23,28,33,36H,7,16-17H2,1-6H3