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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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