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

Systemtic Name: methyl 3-nitro-5-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[(3-pyrrolidinosulfonylbenzoyl)amino]carbamoyl]benzoic acid methyl ester Formula: C20H20N4O8S MolecularWeight: 476.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O8S/c1-32-20(27)15-9-14(10-16(11-15)24(28)29)19(26)22-21-18(25)13-5-4-6-17(12-13)33(30,31)23-7-2-3-8-23/h4-6,9-12H,2-3,7-8H2,1H3,(H,21,25)(H,22,26)