(4-nitrophenyl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (4-nitrophenyl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (4-nitrophenyl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (4-nitrophenyl) ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c23-19(28-16-8-6-15(7-9-16)21(24)25)14-5-10-17(18(13-14)22(26)27)20-11-3-1-2-4-12-20/h5-10,13H,1-4,11-12H2