[2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 6-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 6-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [2,5-dimethyl-4-(morpholinomethyl)phenyl] 6-nitro-2-oxo-chromene-3-carboxylate CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid [2,5-dimethyl-4-(4-morpholinylmethyl)phenyl] ester IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 6-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-nitro-chromene-3-carboxylic acid [2,5-dimethyl-4-(morpholinomethyl)phenyl] ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCOCC2)C)OC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCOCC2)C)OC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H22N2O7/c1-14-10-21(15(2)9-17(14)13-24-5-7-30-8-6-24)32-23(27)19-12-16-11-18(25(28)29)3-4-20(16)31-22(19)26/h3-4,9-12H,5-8,13H2,1-2H3