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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-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-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5/c1-11-3-6-16-20-13(8-17(23)21(16)9-11)10-27-18(24)12-4-5-14(19-2)15(7-12)22(25)26/h3-9,19H,10H2,1-2H3