N-[(E)-4-(6-azanyl-5-nitro-pyridin-3-yl)but-3-enyl]-N-methyl-benzamide

Systemtic Name: N-[(E)-4-(6-azanyl-5-nitro-pyridin-3-yl)but-3-enyl]-N-methyl-benzamide Openeye Name: N-[(E)-4-(6-amino-5-nitro-3-pyridyl)but-3-enyl]-N-methyl-benzamide CAS Name: N-[(E)-4-(6-amino-5-nitro-3-pyridinyl)but-3-enyl]-N-methylbenzamide IUPAC Name: N-[(E)-4-(6-amino-5-nitropyridin-3-yl)but-3-enyl]-N-methylbenzamide Traditional Name: N-[(E)-4-(6-amino-5-nitro-3-pyridyl)but-3-enyl]-N-methyl-benzamide Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC=CC1=CC(=C(N=C1)N)[N+](=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-20(17(22)14-8-3-2-4-9-14)10-6-5-7-13-11-15(21(23)24)16(18)19-12-13/h2-5,7-9,11-12H,6,10H2,1H3,(H2,18,19)/b7-5+