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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-[(3-nitrophenyl)carbonylamino]ethanoylamino]propanoate Openeye Name: 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]propanoate IUPAC Name: 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]propionate Formula: C19H16N3O8- MolecularWeight: 414.34564

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)[O-])NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)[O-])NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O8/c23-17(9-20-19(26)12-2-1-3-13(6-12)22(27)28)21-14(8-18(24)25)11-4-5-15-16(7-11)30-10-29-15/h1-7,14H,8-10H2,(H,20,26)(H,21,23)(H,24,25)/p-1