methyl 5-(2-methoxy-2-oxidanylidene-ethanoyl)-4-methyl-2-[(E)-prop-1-enyl]-1,3-benzodiazepine-5-carboxylate

Systemtic Name: methyl 5-(2-methoxy-2-oxidanylidene-ethanoyl)-4-methyl-2-[(E)-prop-1-enyl]-1,3-benzodiazepine-5-carboxylate Openeye Name: methyl 5-(2-methoxy-2-oxo-acetyl)-4-methyl-2-[(E)-prop-1-enyl]-1,3-benzodiazepine-5-carboxylate CAS Name: 5-(2-methoxy-1,2-dioxoethyl)-4-methyl-2-[(E)-prop-1-enyl]-1,3-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-methoxy-2-oxoacetyl)-4-methyl-2-[(E)-prop-1-enyl]-1,3-benzodiazepine-5-carboxylate Traditional Name: 5-methoxalyl-4-methyl-2-[(E)-prop-1-enyl]-1,3-benzodiazepine-5-carboxylic acid methyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC2=CC=CC=C2C(C(=N1)C)(C(=O)C(=O)OC)C(=O)OC

Isomeric SMILES

C/C=C/C1=NC2=CC=CC=C2C(C(=N1)C)(C(=O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H18N2O5/c1-5-8-14-19-11(2)18(17(23)25-4,15(21)16(22)24-3)12-9-6-7-10-13(12)20-14/h5-10H,1-4H3/b8-5+