(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-azanyl-4-nitro-benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-azanyl-4-nitro-benzoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H14N4O5/c1-10-4-5-20-15(6-10)19-11(7-16(20)22)9-26-17(23)13-3-2-12(21(24)25)8-14(13)18/h2-8H,9,18H2,1H3