4-(2-acetamidoethylamino)-3-nitro-benzoic acid

Systemtic Name: 4-(2-acetamidoethylamino)-3-nitro-benzoic acid Openeye Name: 4-(2-acetamidoethylamino)-3-nitro-benzoic acid CAS Name: 4-(2-acetamidoethylamino)-3-nitrobenzoic acid IUPAC Name: 4-(2-acetamidoethylamino)-3-nitrobenzoic acid Traditional Name: 4-(2-acetamidoethylamino)-3-nitro-benzoic acid Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5/c1-7(15)12-4-5-13-9-3-2-8(11(16)17)6-10(9)14(18)19/h2-3,6,13H,4-5H2,1H3,(H,12,15)(H,16,17)