[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c24-19(21-16-7-3-4-8-16)14-28-20(25)15-9-10-17(18(13-15)23(26)27)22-11-5-1-2-6-12-22/h9-10,13,16H,1-8,11-12,14H2,(H,21,24)