4-azanyl-3-methyl-5-nitro-benzoic acid

Systemtic Name: 4-azanyl-3-methyl-5-nitro-benzoic acid Openeye Name: 4-amino-3-methyl-5-nitro-benzoic acid CAS Name: 4-amino-3-methyl-5-nitrobenzoic acid IUPAC Name: 4-amino-3-methyl-5-nitrobenzoic acid Traditional Name: 4-amino-3-methyl-5-nitro-benzoic acid Formula: C8H8N2O4 MolecularWeight: 196.16012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O4/c1-4-2-5(8(11)12)3-6(7(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)