[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(2,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13Cl2N3O5 MolecularWeight: 398.19752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H13Cl2N3O5/c1-8(15(22)20-14-6-9(17)2-5-12(14)18)26-16(23)11-4-3-10(21(24)25)7-13(11)19/h2-8H,19H2,1H3,(H,20,22)