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

Systemtic Name: 2-[(3-nitrophenyl)carbonylamino]ethanoyl 3-(2-azanyl-1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-[(3-nitrobenzoyl)amino]acetyl] 3-(2-amino-1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(2-amino-1,3-benzodioxol-5-yl)propanoic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(3-nitrobenzoyl)amino]acetyl] 3-(2-amino-1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(2-amino-1,3-benzodioxol-5-yl)propionic acid [2-[(3-nitrobenzoyl)amino]acetyl] ester Formula: C19H17N3O8 MolecularWeight: 415.35358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OC(=O)CCC2=CC3=C(C=C2)OC(O3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OC(=O)CCC2=CC3=C(C=C2)OC(O3)N

InChI

InChI=1S/C19H17N3O8/c20-19-28-14-6-4-11(8-15(14)29-19)5-7-16(23)30-17(24)10-21-18(25)12-2-1-3-13(9-12)22(26)27/h1-4,6,8-9,19H,5,7,10,20H2,(H,21,25)