4-chloranyl-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Formula: C21H16ClN5O4 MolecularWeight: 437.83584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H16ClN5O4/c1-12-9-18-19(25-26(24-18)14-4-6-15(31-2)7-5-14)11-17(12)23-21(28)13-3-8-16(22)20(10-13)27(29)30/h3-11H,1-2H3,(H,23,28)