(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-azanyl-3-chloranyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-azanyl-3-chloranyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H12Cl2N3O3+ MolecularWeight: 365.19078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)N)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)N)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C16H11Cl2N3O3/c17-9-4-5-13-20-10(6-14(22)21(13)7-9)8-24-16(23)11-2-1-3-12(18)15(11)19/h1-7H,8H2,(H2,19,23)/p+1