(Z)-4-[(2-methylphenyl)amino]-3-nitro-but-3-en-2-one

Systemtic Name: (Z)-4-[(2-methylphenyl)amino]-3-nitro-but-3-en-2-one Openeye Name: (Z)-4-(2-methylanilino)-3-nitro-but-3-en-2-one CAS Name: (Z)-4-(2-methylanilino)-3-nitro-3-buten-2-one IUPAC Name: (Z)-4-(2-methylanilino)-3-nitrobut-3-en-2-one Traditional Name: (Z)-3-nitro-4-(o-toluidino)but-3-en-2-one Formula: C11H12N2O3 MolecularWeight: 220.22458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC=C(C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N/C=C(/C(=O)C)\[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O3/c1-8-5-3-4-6-10(8)12-7-11(9(2)14)13(15)16/h3-7,12H,1-2H3/b11-7-