[2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-keto-ethyl] ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O6/c1-21(8-9-27-14-5-3-13(19)4-6-14)17(23)11-28-18(24)12-2-7-15(20)16(10-12)22(25)26/h2-7,10H,8-9,11,20H2,1H3