4-nitroaniline; 1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-nitroaniline; 1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid; 4-nitroaniline CAS Name: 4-nitroaniline; 1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-nitroaniline; 1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)propanoyl]proline; (4-nitrophenyl)amine Formula: C22H26N4O7 MolecularWeight: 458.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2.C1=CC(=CC=C1N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2.C1=CC(=CC=C1N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5.C6H6N2O2/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12;7-5-1-3-6(4-2-5)8(9)10/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21);1-4H,7H2