4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]pyrrol-1-yl]butanoic acid Openeye Name: 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methyleneamino]pyrrol-1-yl]butanoic acid CAS Name: 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]-1-pyrrolyl]butanoic acid IUPAC Name: 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]pyrrol-1-yl]butanoic acid Traditional Name: 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrobenzylidene)amino]pyrrol-1-yl]butyric acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N=CC2=CC=CC=C2[N+](=O)[O-])CCCC(=O)O)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)/N=C/C2=CC=CC=C2[N+](=O)[O-])CCCC(=O)O)C

InChI

InChI=1S/C18H18N4O4/c1-12-13(2)21(9-5-8-17(23)24)18(15(12)10-19)20-11-14-6-3-4-7-16(14)22(25)26/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,23,24)/b20-11+