4-carbamimidoylbenzoic acid; 3-phenyloxiran-2-one

Systemtic Name: 4-carbamimidoylbenzoic acid; 3-phenyloxiran-2-one Openeye Name: 4-carbamimidoylbenzoic acid; 3-phenyloxiran-2-one CAS Name: 4-carbamimidoylbenzoic acid; 3-phenyl-2-oxiranone IUPAC Name: 4-carbamimidoylbenzoic acid; 3-phenyloxiran-2-one Traditional Name: 4-amidinobenzoic acid; 3-phenyloxiran-2-one Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)O2.C1=CC(=CC=C1C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)O2.C1=CC(=CC=C1C(=N)N)C(=O)O

InChI

InChI=1S/C8H8N2O2.C8H6O2/c9-7(10)5-1-3-6(4-2-5)8(11)12;9-8-7(10-8)6-4-2-1-3-5-6/h1-4H,(H3,9,10)(H,11,12);1-5,7H