4-azanyl-3-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

Systemtic Name: 4-azanyl-3-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Openeye Name: 4-amino-3-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide CAS Name: 4-amino-3-nitro-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]benzamide IUPAC Name: 4-amino-3-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Traditional Name: 4-amino-3-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Formula: C18H17N7O4 MolecularWeight: 395.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])N3C=NC=N3

InChI

InChI=1S/C18H17N7O4/c1-11(24-10-20-9-21-24)17(26)22-13-3-5-14(6-4-13)23-18(27)12-2-7-15(19)16(8-12)25(28)29/h2-11H,19H2,1H3,(H,22,26)(H,23,27)