methyl 3-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(1R)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c1-30-20(26)13-7-12(8-15(9-13)24(28)29)19(25)23-18(21(27)31-2)10-14-11-22-17-6-4-3-5-16(14)17/h3-9,11,18,22H,10H2,1-2H3,(H,23,25)/t18-/m1/s1