3-nitro-N-[2-[(2-nitrophenyl)amino]ethyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-[2-[(2-nitrophenyl)amino]ethyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[2-(2-nitroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[2-(2-nitroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[2-(2-nitroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-[2-(2-nitroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H15N7O5 MolecularWeight: 397.3449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N7O5/c25-17(20-8-7-19-13-3-1-2-4-14(13)23(26)27)12-5-6-15(16(9-12)24(28)29)22-11-18-10-21-22/h1-6,9-11,19H,7-8H2,(H,20,25)