diethyl 2-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenoxy]propanedioate

Systemtic Name: diethyl 2-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenoxy]propanedioate Openeye Name: diethyl 2-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenoxy]propanedioate CAS Name: 2-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenoxy]propanedioate Traditional Name: 2-[4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenoxy]malonic acid diethyl ester Formula: C27H23NO9 MolecularWeight: 505.47282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)OC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)OC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C27H23NO9/c1-3-34-26(32)25(27(33)35-4-2)37-15-11-9-14(10-12-15)36-19-13-18(29)20-21(22(19)28)24(31)17-8-6-5-7-16(17)23(20)30/h5-13,25,29H,3-4,28H2,1-2H3