3-acetamido-5-azanyl-4-methyl-2-nitro-benzoic acid

Systemtic Name: 3-acetamido-5-azanyl-4-methyl-2-nitro-benzoic acid Openeye Name: 3-acetamido-5-amino-4-methyl-2-nitro-benzoic acid CAS Name: 3-acetamido-5-amino-4-methyl-2-nitrobenzoic acid IUPAC Name: 3-acetamido-5-amino-4-methyl-2-nitrobenzoic acid Traditional Name: 3-acetamido-5-amino-4-methyl-2-nitro-benzoic acid Formula: C10H11N3O5 MolecularWeight: 253.21144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1NC(=O)C)[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

CC1=C(C=C(C(=C1NC(=O)C)[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C10H11N3O5/c1-4-7(11)3-6(10(15)16)9(13(17)18)8(4)12-5(2)14/h3H,11H2,1-2H3,(H,12,14)(H,15,16)