(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-nitro-4-phenylazanyl-benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H18N4O5 MolecularWeight: 430.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C23H18N4O5/c1-15-7-10-21-25-18(12-22(28)26(21)13-15)14-32-23(29)16-8-9-19(20(11-16)27(30)31)24-17-5-3-2-4-6-17/h2-13,24H,14H2,1H3