N-[(E)-[2-[bis(2-methylpropyl)amino]-5-nitro-phenyl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[2-[bis(2-methylpropyl)amino]-5-nitro-phenyl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[2-(diisobutylamino)-5-nitro-phenyl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[2-[bis(2-methylpropyl)amino]-5-nitrophenyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[2-[bis(2-methylpropyl)amino]-5-nitrophenyl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[2-(diisobutylamino)-5-nitro-benzylidene]amino]isonicotinamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)C2=CC=NC=C2

Isomeric SMILES

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)[N+](=O)[O-])/C=N/NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C21H27N5O3/c1-15(2)13-25(14-16(3)4)20-6-5-19(26(28)29)11-18(20)12-23-24-21(27)17-7-9-22-10-8-17/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)/b23-12+