N-(4-butylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(4-butylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(4-butylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-(4-butylphenyl)-6-keto-1-(3-nitrobenzyl)nicotinamide Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4/c1-2-3-5-17-8-11-20(12-9-17)24-23(28)19-10-13-22(27)25(16-19)15-18-6-4-7-21(14-18)26(29)30/h4,6-14,16H,2-3,5,15H2,1H3,(H,24,28)