[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COCC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

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