3-[(2-oxidanylideneazepan-3-yl)carbamoylamino]benzoic acid

Systemtic Name: 3-[(2-oxidanylideneazepan-3-yl)carbamoylamino]benzoic acid Openeye Name: 3-[(2-oxoazepan-3-yl)carbamoylamino]benzoic acid CAS Name: 3-[[oxo-[(2-oxo-3-azepanyl)amino]methyl]amino]benzoic acid IUPAC Name: 3-[(2-oxoazepan-3-yl)carbamoylamino]benzoic acid Traditional Name: 3-[(2-ketoazepan-3-yl)carbamoylamino]benzoic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17N3O4/c18-12-11(6-1-2-7-15-12)17-14(21)16-10-5-3-4-9(8-10)13(19)20/h3-5,8,11H,1-2,6-7H2,(H,15,18)(H,19,20)(H2,16,17,21)