N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H22N6O4 MolecularWeight: 458.46928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O4/c1-34-19-8-6-18(7-9-19)29-26-20-10-5-17(15-21(20)27-29)25-24(31)16-4-11-22(23(14-16)30(32)33)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,25,31)