4-(benzotriazol-1-yl)-N-(3-cyanophenyl)-3-nitro-benzamide

Systemtic Name: 4-(benzotriazol-1-yl)-N-(3-cyanophenyl)-3-nitro-benzamide Openeye Name: 4-(benzotriazol-1-yl)-N-(3-cyanophenyl)-3-nitro-benzamide CAS Name: 4-(1-benzotriazolyl)-N-(3-cyanophenyl)-3-nitrobenzamide IUPAC Name: 4-(benzotriazol-1-yl)-N-(3-cyanophenyl)-3-nitrobenzamide Traditional Name: 4-(benzotriazol-1-yl)-N-(3-cyanophenyl)-3-nitro-benzamide Formula: C20H12N6O3 MolecularWeight: 384.34768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H12N6O3/c21-12-13-4-3-5-15(10-13)22-20(27)14-8-9-18(19(11-14)26(28)29)25-17-7-2-1-6-16(17)23-24-25/h1-11H,(H,22,27)