(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(2-nitrophenyl)amino]propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(2-nitrophenyl)amino]propanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2-nitroanilino)propanoate CAS Name: 3-(2-nitroanilino)propanoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2-nitroanilino)propanoate Traditional Name: 3-(2-nitroanilino)propionic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H19N4O5+ MolecularWeight: 383.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-13-6-7-17-21-14(10-18(24)22(17)11-13)12-28-19(25)8-9-20-15-4-2-3-5-16(15)23(26)27/h2-7,10-11,20H,8-9,12H2,1H3/p+1