phenyl 4-(ethanoylcarbamoylamino)-3-nitro-benzenesulfonate

Systemtic Name: phenyl 4-(ethanoylcarbamoylamino)-3-nitro-benzenesulfonate Openeye Name: phenyl 4-(acetylcarbamoylamino)-3-nitro-benzenesulfonate CAS Name: 4-[[acetamido(oxo)methyl]amino]-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(acetylcarbamoylamino)-3-nitrobenzenesulfonate Traditional Name: 4-(acetylcarbamoylamino)-3-nitro-benzenesulfonic acid phenyl ester Formula: C15H13N3O7S MolecularWeight: 379.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O7S/c1-10(19)16-15(20)17-13-8-7-12(9-14(13)18(21)22)26(23,24)25-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,19,20)