[1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2,3-dichloroanilino)-1-methyl-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(2,3-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19Cl2N3O5 MolecularWeight: 452.28796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19Cl2N3O5/c1-12(19(26)23-15-6-4-5-14(21)18(15)22)30-20(27)13-7-8-16(17(11-13)25(28)29)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,26)