[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O6/c1-24-15-5-3-9(6-11(15)17)14(20)8-25-16(21)10-2-4-12(18)13(7-10)19(22)23/h2-7H,8,18H2,1H3