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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6/c17-16(23)18-14(21)10-26-15(22)11-5-6-12(13(9-11)20(24)25)19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8,10H2,(H3,17,18,21,23)