methyl 3-nitro-5-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(1-pyrrolidinylsulfonyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(3-pyrrolidinosulfonylphenyl)carbamoyl]benzoic acid methyl ester Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7S/c1-29-19(24)14-9-13(10-16(11-14)22(25)26)18(23)20-15-5-4-6-17(12-15)30(27,28)21-7-2-3-8-21/h4-6,9-12H,2-3,7-8H2,1H3,(H,20,23)