methyl (Z)-3-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate

Systemtic Name: methyl (Z)-3-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate Openeye Name: methyl (Z)-4-(benzylamino)-3-(2-methyl-5-nitro-anilino)-4-oxo-but-2-enoate CAS Name: (Z)-3-(2-methyl-5-nitroanilino)-4-oxo-4-[(phenylmethyl)amino]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(benzylamino)-3-(2-methyl-5-nitroanilino)-4-oxobut-2-enoate Traditional Name: (Z)-4-(benzylamino)-4-keto-3-(2-methyl-5-nitro-anilino)but-2-enoic acid methyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=CC(=O)OC)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N/C(=C\C(=O)OC)/C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H19N3O5/c1-13-8-9-15(22(25)26)10-16(13)21-17(11-18(23)27-2)19(24)20-12-14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3,(H,20,24)/b17-11-