[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxidanylidene-propyl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxidanylidene-propyl] 4-nitrobenzoate Openeye Name: [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxo-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-methoxy-3-oxopropyl] ester IUPAC Name: [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxopropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-keto-3-methoxy-propyl] ester Formula: C14H15ClN4O8 MolecularWeight: 402.7439

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(CCCl)N=O

Isomeric SMILES

COC(=O)[C@H](COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(CCCl)N=O

InChI

InChI=1S/C14H15ClN4O8/c1-26-13(21)11(16-14(22)18(17-23)7-6-15)8-27-12(20)9-2-4-10(5-3-9)19(24)25/h2-5,11H,6-8H2,1H3,(H,16,22)/t11-/m0/s1