methyl 2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-(4-chloro-3-nitro-phenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(4-chloro-3-nitro-phenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C23H19ClN2O6 MolecularWeight: 454.85976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CC=C4)N

InChI

InChI=1S/C23H19ClN2O6/c1-31-23(28)21-19(13-7-8-15(24)16(9-13)26(29)30)20-17(27)10-14(11-18(20)32-22(21)25)12-5-3-2-4-6-12/h2-9,14,19H,10-11,25H2,1H3