methyl 3-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxy-3-methyl-phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxy-3-methyl-phenyl]propanoate Openeye Name: methyl 3-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-3-methyl-phenyl]propanoate CAS Name: 3-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-3-methylphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-3-methylphenyl]propanoate Traditional Name: 3-[4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]-3-methyl-phenyl]propionic acid methyl ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)OC)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)OC)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C25H21NO6/c1-13-11-14(8-10-20(28)31-2)7-9-18(13)32-19-12-17(27)21-22(23(19)26)25(30)16-6-4-3-5-15(16)24(21)29/h3-7,9,11-12,27H,8,10,26H2,1-2H3