[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O6/c1-11(17(22)20-10-12-5-3-4-6-16(12)26-2)27-18(23)14-8-7-13(19)9-15(14)21(24)25/h3-9,11H,10H2,1-2H3,(H,20,22)