methyl 4-[(E)-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]benzoic acid methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H16N2O5/c1-12-11-15(20(23)24)8-9-16(12)19-17(21)10-5-13-3-6-14(7-4-13)18(22)25-2/h3-11H,1-2H3,(H,19,21)/b10-5+