N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(6-methyl-2-p-phenetyl-benzotriazol-5-yl)-3-nitro-4-piperidino-benzamide Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C27H28N6O4/c1-3-37-21-10-8-20(9-11-21)32-29-23-15-18(2)22(17-24(23)30-32)28-27(34)19-7-12-25(26(16-19)33(35)36)31-13-5-4-6-14-31/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,28,34)