4-[[(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]acryloyl]amino]benzoate Formula: C18H13N4O5- MolecularWeight: 365.31962

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5/c1-20-15-7-2-11(9-16(15)22(26)27)8-13(10-19)17(23)21-14-5-3-12(4-6-14)18(24)25/h2-9,20H,1H3,(H,21,23)(H,24,25)/p-1/b13-8+