2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzoic acid

Systemtic Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzoic acid Openeye Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzoic acid CAS Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzoic acid IUPAC Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzoic acid Traditional Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzoic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H17N3O4/c1-14-5-2-6-15(8-7-14)12-4-3-10(16(19)20)9-11(12)13(17)18/h3-4,9H,2,5-8H2,1H3,(H,17,18)