3-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid

Systemtic Name: 3-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid Openeye Name: 3-[(4-amino-9,10-dioxo-1-anthryl)amino]benzoic acid CAS Name: 3-[(4-amino-9,10-dioxo-1-anthracenyl)amino]benzoic acid IUPAC Name: 3-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid Traditional Name: 3-[(4-amino-9,10-diketo-1-anthryl)amino]benzoic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC(=C4)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC(=C4)C(=O)O)N

InChI

InChI=1S/C21H14N2O4/c22-15-8-9-16(23-12-5-3-4-11(10-12)21(26)27)18-17(15)19(24)13-6-1-2-7-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)