2-methyl-4-nitro-aniline; sulfuric acid

Systemtic Name: 2-methyl-4-nitro-aniline; sulfuric acid Openeye Name: 2-methyl-4-nitro-aniline; sulfuric acid CAS Name: 2-methyl-4-nitroaniline; sulfuric acid IUPAC Name: 2-methyl-4-nitroaniline; sulfuric acid Traditional Name: (2-methyl-4-nitro-phenyl)amine; sulfuric acid Formula: C14H18N4O8S MolecularWeight: 402.37972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N.CC1=C(C=CC(=C1)[N+](=O)[O-])N.OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N.CC1=C(C=CC(=C1)[N+](=O)[O-])N.OS(=O)(=O)O

InChI

InChI=1S/2C7H8N2O2.H2O4S/c2*1-5-4-6(9(10)11)2-3-7(5)8;1-5(2,3)4/h2*2-4H,8H2,1H3;(H2,1,2,3,4)