4-(1,4-diazepan-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(1,4-diazepan-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(1,4-diazepan-1-yl)-3-nitro-benzoic acid CAS Name: 4-(1,4-diazepan-1-yl)-3-nitrobenzoic acid IUPAC Name: 4-(1,4-diazepan-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(1,4-diazepan-1-yl)-3-nitro-benzoic acid Formula: C12H15N3O4 MolecularWeight: 265.2652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4/c16-12(17)9-2-3-10(11(8-9)15(18)19)14-6-1-4-13-5-7-14/h2-3,8,13H,1,4-7H2,(H,16,17)