[4-(benzotriazol-1-yl)piperidin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-(benzotriazol-1-yl)piperidin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(benzotriazol-1-yl)-1-piperidyl]-(3-nitrophenyl)methanone CAS Name: [4-(1-benzotriazolyl)-1-piperidinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(benzotriazol-1-yl)piperidin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(benzotriazol-1-yl)piperidino]-(3-nitrophenyl)methanone Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N=N2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N=N2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c24-18(13-4-3-5-15(12-13)23(25)26)21-10-8-14(9-11-21)22-17-7-2-1-6-16(17)19-20-22/h1-7,12,14H,8-11H2