2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]-5-nitro-benzoic acid Openeye Name: 2-[(3-morpholinosulfonylbenzoyl)amino]-5-nitro-benzoic acid CAS Name: 2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(3-morpholinosulfonylbenzoyl)amino]-5-nitro-benzoic acid Formula: C18H17N3O8S MolecularWeight: 435.40788

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17N3O8S/c22-17(19-16-5-4-13(21(25)26)11-15(16)18(23)24)12-2-1-3-14(10-12)30(27,28)20-6-8-29-9-7-20/h1-5,10-11H,6-9H2,(H,19,22)(H,23,24)