[2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxo-ethyl] 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [2-[[(1-methyl-2-imidazolyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [2-keto-2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]ethyl] ester Formula: C28H22N4O5 MolecularWeight: 494.49808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C28H22N4O5/c1-32-14-13-30-27(32)24(16-7-3-2-4-8-16)31-21(33)15-37-28(36)20-12-11-19-22(23(20)29)26(35)18-10-6-5-9-17(18)25(19)34/h2-14,24H,15,29H2,1H3,(H,31,33)