ethyl 3-(1,3-benzodioxol-5-yl)-3-[2-[(3-nitrophenyl)carbonylamino]ethanoylamino]propanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[2-[(3-nitrophenyl)carbonylamino]ethanoylamino]propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]propionic acid ethyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O8/c1-2-30-20(26)10-16(13-6-7-17-18(9-13)32-12-31-17)23-19(25)11-22-21(27)14-4-3-5-15(8-14)24(28)29/h3-9,16H,2,10-12H2,1H3,(H,22,27)(H,23,25)