[1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H18Cl2N4O5 MolecularWeight: 453.27602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H18Cl2N4O5/c1-11(18(26)23-17-14(21)9-13(20)10-22-17)30-19(27)12-4-5-15(16(8-12)25(28)29)24-6-2-3-7-24/h4-5,8-11H,2-3,6-7H2,1H3,(H,22,23,26)