4-methoxy-5-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]-2-nitro-benzenesulfonic acid

Systemtic Name: 4-methoxy-5-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]-2-nitro-benzenesulfonic acid Openeye Name: 4-methoxy-5-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]-2-nitro-benzenesulfonic acid CAS Name: 4-methoxy-5-[[(2-methoxy-5-sulfoanilino)-oxomethyl]amino]-2-nitrobenzenesulfonic acid IUPAC Name: 4-methoxy-5-[(2-methoxy-5-sulfophenyl)carbamoylamino]-2-nitrobenzenesulfonic acid Traditional Name: 4-methoxy-5-[(2-methoxy-5-sulfo-phenyl)carbamoylamino]-2-nitro-besylic acid Formula: C15H15N3O11S2 MolecularWeight: 477.4231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C15H15N3O11S2/c1-28-12-4-3-8(30(22,23)24)5-9(12)16-15(19)17-10-6-14(31(25,26)27)11(18(20)21)7-13(10)29-2/h3-7H,1-2H3,(H2,16,17,19)(H,22,23,24)(H,25,26,27)