2-(1-azanylethylamino)-4-nitro-benzoic acid

Systemtic Name: 2-(1-azanylethylamino)-4-nitro-benzoic acid Openeye Name: 2-(1-aminoethylamino)-4-nitro-benzoic acid CAS Name: 2-(1-aminoethylamino)-4-nitrobenzoic acid IUPAC Name: 2-(1-aminoethylamino)-4-nitrobenzoic acid Traditional Name: 2-(1-aminoethylamino)-4-nitro-benzoic acid Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(N)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H11N3O4/c1-5(10)11-8-4-6(12(15)16)2-3-7(8)9(13)14/h2-5,11H,10H2,1H3,(H,13,14)