methyl (E)-3-[(4-methylphenyl)amino]-2-nitro-but-2-enoate

Systemtic Name: methyl (E)-3-[(4-methylphenyl)amino]-2-nitro-but-2-enoate Openeye Name: methyl (E)-3-(4-methylanilino)-2-nitro-but-2-enoate CAS Name: (E)-3-(4-methylanilino)-2-nitro-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-methylanilino)-2-nitrobut-2-enoate Traditional Name: (E)-2-nitro-3-(p-toluidino)but-2-enoic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c1-8-4-6-10(7-5-8)13-9(2)11(14(16)17)12(15)18-3/h4-7,13H,1-3H3/b11-9+