5-(hydroxymethyl)-2-methyl-4-[(E)-N'-oxidanylcarbamimidoyl]-3-phenylazanyl-benzoic acid

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[(E)-N'-oxidanylcarbamimidoyl]-3-phenylazanyl-benzoic acid Openeye Name: 3-anilino-4-[(E)-N'-hydroxycarbamimidoyl]-5-(hydroxymethyl)-2-methyl-benzoic acid CAS Name: 4-[(E)-amino(hydroxyimino)methyl]-3-anilino-5-(hydroxymethyl)-2-methylbenzoic acid IUPAC Name: 3-anilino-4-[(E)-N'-hydroxycarbamimidoyl]-5-(hydroxymethyl)-2-methylbenzoic acid Traditional Name: 4-[(E)-aminocarbohydroximoyl]-3-anilino-2-methyl-5-methylol-benzoic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)CO)C(=NO)N)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)CO)/C(=N\O)/N)NC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4/c1-9-12(16(21)22)7-10(8-20)13(15(17)19-23)14(9)18-11-5-3-2-4-6-11/h2-7,18,20,23H,8H2,1H3,(H2,17,19)(H,21,22)