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

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H14ClN3O6 MolecularWeight: 403.77326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O6/c1-2-27-15-5-3-11(7-14(15)22(25)26)18(24)28-10-13-8-17(23)21-9-12(19)4-6-16(21)20-13/h3-9H,2,10H2,1H3