chloromethyl 4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethanoylamino]benzoate

Systemtic Name: chloromethyl 4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethanoylamino]benzoate Openeye Name: chloromethyl 4-[[2-[(4-nitrophenyl)methoxycarbonylamino]acetyl]amino]benzoate CAS Name: 4-[[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid chloromethyl ester IUPAC Name: chloromethyl 4-[[2-[(4-nitrophenyl)methoxycarbonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-nitrobenzyl)oxycarbonylamino]acetyl]amino]benzoic acid chloromethyl ester Formula: C18H16ClN3O7 MolecularWeight: 421.78854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NCC(=O)NC2=CC=C(C=C2)C(=O)OCCl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NCC(=O)NC2=CC=C(C=C2)C(=O)OCCl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O7/c19-11-29-17(24)13-3-5-14(6-4-13)21-16(23)9-20-18(25)28-10-12-1-7-15(8-2-12)22(26)27/h1-8H,9-11H2,(H,20,25)(H,21,23)