2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioic acid

Systemtic Name: 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioic acid Openeye Name: 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioic acid CAS Name: 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioic acid IUPAC Name: 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioic acid Traditional Name: 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)malonic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NCC(=C(C(=O)O)C(=O)O)N=C2N(N1)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=C2C(=NCC(=C(C(=O)O)C(=O)O)N=C2N(N1)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4/c1-3-11-13-15(10-7-5-4-6-8-10)19-9-12(14(17(23)24)18(25)26)20-16(13)22(2)21-11/h4-8,21H,3,9H2,1-2H3,(H,23,24)(H,25,26)