methyl 4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[N-(cyanomethyl)anilino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[N-(cyanomethyl)anilino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(CC#N)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(CC#N)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6/c1-26-18(23)13-7-8-16(15(11-13)21(24)25)27-12-17(22)20(10-9-19)14-5-3-2-4-6-14/h2-8,11H,10,12H2,1H3