3-chloranyl-4-methoxy-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C19H18ClN3O6/c1-29-17-14(20)8-11(19(25)26)9-15(17)21-18(24)13-10-12(23(27)28)4-5-16(13)22-6-2-3-7-22/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,24)(H,25,26)