O1-ethyl O4-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N1C(CC(=O)NC2=CC=CC=C21)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N1[C@H](CC(=O)NC2=CC=CC=C21)C

InChI

InChI=1S/C18H20N2O6/c1-3-25-17(23)8-9-18(24)26-11-16(22)20-12(2)10-15(21)19-13-6-4-5-7-14(13)20/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)/b9-8+/t12-/m0/s1