diethyl 4-(3-azanylpropoxy)-1-[(3-nitrophenyl)methyl]-2H-pyridine-2,6-dicarboxylate

Systemtic Name: diethyl 4-(3-azanylpropoxy)-1-[(3-nitrophenyl)methyl]-2H-pyridine-2,6-dicarboxylate Openeye Name: diethyl 4-(3-aminopropoxy)-1-[(3-nitrophenyl)methyl]-2H-pyridine-2,6-dicarboxylate CAS Name: 4-(3-aminopropoxy)-1-[(3-nitrophenyl)methyl]-2H-pyridine-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-aminopropoxy)-1-[(3-nitrophenyl)methyl]-2H-pyridine-2,6-dicarboxylate Traditional Name: 4-(3-aminopropoxy)-1-(3-nitrobenzyl)-2H-pyridine-2,6-dicarboxylic acid diethyl ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=C(C=C(N1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)OCCCN

Isomeric SMILES

CCOC(=O)C1C=C(C=C(N1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)OCCCN

InChI

InChI=1S/C21H27N3O7/c1-3-29-20(25)18-12-17(31-10-6-9-22)13-19(21(26)30-4-2)23(18)14-15-7-5-8-16(11-15)24(27)28/h5,7-8,11-13,18H,3-4,6,9-10,14,22H2,1-2H3