ethyl 1-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate CAS Name: 1-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(benzylamino)-7-nitro-benzofurazan-4-yl]nipecotic acid ethyl ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O5/c1-2-30-21(27)15-9-6-10-25(13-15)17-11-16(22-12-14-7-4-3-5-8-14)20(26(28)29)19-18(17)23-31-24-19/h3-5,7-8,11,15,22H,2,6,9-10,12-13H2,1H3