1-(4-carbamimidoylphenyl)-3,5-dimethyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-carbamimidoylphenyl)-3,5-dimethyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-carbamimidoylphenyl)-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-carbamimidoylphenyl)-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-carbamimidoylphenyl)-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-amidinophenyl)-4,6-diketo-3,5-dimethyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C(N1)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)C)C(=O)O

Isomeric SMILES

CC1(C2C(C(N1)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)C)C(=O)O

InChI

InChI=1S/C16H18N4O4/c1-16(15(23)24)10-9(13(21)20(2)14(10)22)11(19-16)7-3-5-8(6-4-7)12(17)18/h3-6,9-11,19H,1-2H3,(H3,17,18)(H,23,24)