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

Systemtic Name: 3-nitro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[4-(isopropylcarbamoylamino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[4-(isopropylcarbamoylamino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H19N7O4 MolecularWeight: 409.39866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O4/c1-12(2)22-19(28)24-15-6-4-14(5-7-15)23-18(27)13-3-8-16(17(9-13)26(29)30)25-11-20-10-21-25/h3-12H,1-2H3,(H,23,27)(H2,22,24,28)