8-[(4-methyl-3-nitro-phenyl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4-methyl-3-nitro-phenyl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(4-methyl-3-nitro-phenyl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(4-methyl-3-nitroanilino)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4-methyl-3-nitrophenyl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(4-methyl-3-nitro-phenyl)carbamoylamino]naphthalene-1,3,6-trisulfonic acid Formula: C18H15N3O12S3 MolecularWeight: 561.5196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O12S3/c1-9-2-3-11(6-15(9)21(23)24)19-18(22)20-14-7-12(34(25,26)27)4-10-5-13(35(28,29)30)8-16(17(10)14)36(31,32)33/h2-8H,1H3,(H2,19,20,22)(H,25,26,27)(H,28,29,30)(H,31,32,33)