4-butoxy-N-[(E)-3-[(4-chloranyl-3-nitro-phenyl)amino]-1-(4-dimethylaminophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[(E)-3-[(4-chloranyl-3-nitro-phenyl)amino]-1-(4-dimethylaminophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: 4-butoxy-N-[(E)-1-[(4-chloro-3-nitro-phenyl)carbamoyl]-2-(4-dimethylaminophenyl)vinyl]benzamide CAS Name: 4-butoxy-N-[(E)-3-(4-chloro-3-nitroanilino)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: 4-butoxy-N-[(E)-3-(4-chloro-3-nitroanilino)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: 4-butoxy-N-[(E)-1-[(4-chloro-3-nitro-phenyl)carbamoyl]-2-(4-dimethylaminophenyl)vinyl]benzamide Formula: C28H29ClN4O5 MolecularWeight: 537.00666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)N(C)C)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H29ClN4O5/c1-4-5-16-38-23-13-8-20(9-14-23)27(34)31-25(17-19-6-11-22(12-7-19)32(2)3)28(35)30-21-10-15-24(29)26(18-21)33(36)37/h6-15,17-18H,4-5,16H2,1-3H3,(H,30,35)(H,31,34)/b25-17+