[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-triacetyloxybenzoate hydrochloride

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-triacetyloxybenzoate hydrochloride Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3,4,5-triacetoxybenzoate hydrochloride CAS Name: 3,4,5-triacetyloxybenzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester hydrochloride IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3,4,5-triacetyloxybenzoate hydrochloride Traditional Name: 3,4,5-triacetoxybenzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester hydrochloride Formula: C23H23ClN2O12 MolecularWeight: 554.88792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC(=C(C(=C2)OC(=O)C)OC(=O)C)OC(=O)C.Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC(=C(C(=C2)OC(=O)C)OC(=O)C)OC(=O)C.Cl

InChI

InChI=1S/C23H22N2O12.ClH/c1-11(22(29)24-17-10-16(25(31)32)6-7-18(17)33-5)34-23(30)15-8-19(35-12(2)26)21(37-14(4)28)20(9-15)36-13(3)27;/h6-11H,1-5H3,(H,24,29);1H