N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-nitro-benzamide Openeye Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-nitro-benzamide CAS Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-nitrobenzamide Traditional Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-nitro-benzamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N4O3/c1-4-5-6-19-7-11-22(12-8-19)27-17(2)15-21(18(27)3)16-25-26-24(29)20-9-13-23(14-10-20)28(30)31/h7-16H,4-6H2,1-3H3,(H,26,29)/b25-16+