O1-ethyl O4-[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 4-O-[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O7/c1-3-23-13(18)7-8-14(19)24-10(2)15(20)16-11-5-4-6-12(9-11)17(21)22/h4-10H,3H2,1-2H3,(H,16,20)/b8-7+/t10-/m1/s1