(2-azanyl-2-oxidanylidene-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5/c16-14(19)10-23-15(20)11-5-6-12(13(9-11)18(21)22)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H2,16,19)