2-[3-methoxycarbonyl-1,6-dimethyl-5-morpholin-4-yl-4,7-bis(oxidanylidene)indol-2-yl]prop-2-enoic acid

Systemtic Name: 2-[3-methoxycarbonyl-1,6-dimethyl-5-morpholin-4-yl-4,7-bis(oxidanylidene)indol-2-yl]prop-2-enoic acid Openeye Name: 2-(3-methoxycarbonyl-1,6-dimethyl-5-morpholino-4,7-dioxo-indol-2-yl)prop-2-enoic acid CAS Name: 2-[3-methoxycarbonyl-1,6-dimethyl-5-(4-morpholinyl)-4,7-dioxo-2-indolyl]-2-propenoic acid IUPAC Name: 2-(3-methoxycarbonyl-1,6-dimethyl-5-morpholin-4-yl-4,7-dioxoindol-2-yl)prop-2-enoic acid Traditional Name: 2-(3-carbomethoxy-4,7-diketo-1,6-dimethyl-5-morpholino-indol-2-yl)acrylic acid Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N(C(=C2C(=O)OC)C(=C)C(=O)O)C)N3CCOCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N(C(=C2C(=O)OC)C(=C)C(=O)O)C)N3CCOCC3

InChI

InChI=1S/C19H20N2O7/c1-9-14(21-5-7-28-8-6-21)17(23)11-12(19(26)27-4)13(10(2)18(24)25)20(3)15(11)16(9)22/h2,5-8H2,1,3-4H3,(H,24,25)