7-[(2-azanyl-4-nitro-phenyl)amino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[(2-azanyl-4-nitro-phenyl)amino]naphthalene-1,3-disulfonic acid Openeye Name: 7-(2-amino-4-nitro-anilino)naphthalene-1,3-disulfonic acid CAS Name: 7-(2-amino-4-nitroanilino)naphthalene-1,3-disulfonic acid IUPAC Name: 7-(2-amino-4-nitroanilino)naphthalene-1,3-disulfonic acid Traditional Name: 7-(2-amino-4-nitro-anilino)naphthalene-1,3-disulfonic acid Formula: C16H13N3O8S2 MolecularWeight: 439.41972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H13N3O8S2/c17-14-7-11(19(20)21)3-4-15(14)18-10-2-1-9-5-12(28(22,23)24)8-16(13(9)6-10)29(25,26)27/h1-8,18H,17H2,(H,22,23,24)(H,25,26,27)