2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-5-nitro-pyridine-3-carboxamide

Systemtic Name: 2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-5-nitro-pyridine-3-carboxamide Openeye Name: 2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-5-nitro-pyridine-3-carboxamide CAS Name: 2-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-5-nitro-3-pyridinecarboxamide IUPAC Name: 2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-5-nitropyridine-3-carboxamide Traditional Name: 2-[[4-(isobutyrylamino)benzyl]amino]-5-nitro-nicotinamide Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC2=NC=C(C=C2C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC2=NC=C(C=C2C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c1-10(2)17(24)21-12-5-3-11(4-6-12)8-19-16-14(15(18)23)7-13(9-20-16)22(25)26/h3-7,9-10H,8H2,1-2H3,(H2,18,23)(H,19,20)(H,21,24)