diethyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxidanylidene-4a,8a-dihydrochromen-4-yl)oxymethyl]pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxidanylidene-4a,8a-dihydrochromen-4-yl)oxymethyl]pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxo-4a,8a-dihydrochromen-4-yl)oxymethyl]pyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[(2-oxo-4a,8a-dihydro-1-benzopyran-4-yl)oxymethyl]pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxo-4a,8a-dihydrochromen-4-yl)oxymethyl]pyridine-3,5-dicarboxylate Traditional Name: 2-[(2-keto-4a,8a-dihydrochromen-4-yl)oxymethyl]-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H26N2O9 MolecularWeight: 534.51404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C)COC2=CC(=O)OC3C2C=CC=C3)C(=O)OCC)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C)COC2=CC(=O)OC3C2C=CC=C3)C(=O)OCC)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H26N2O9/c1-4-36-27(32)24-16(3)29-20(15-38-22-14-23(31)39-21-12-7-6-11-19(21)22)26(28(33)37-5-2)25(24)17-9-8-10-18(13-17)30(34)35/h6-14,19,21H,4-5,15H2,1-3H3