5-(2-acetamidoethylamino)-2-nitro-benzoic acid

Systemtic Name: 5-(2-acetamidoethylamino)-2-nitro-benzoic acid Openeye Name: 5-(2-acetamidoethylamino)-2-nitro-benzoic acid CAS Name: 5-(2-acetamidoethylamino)-2-nitrobenzoic acid IUPAC Name: 5-(2-acetamidoethylamino)-2-nitrobenzoic acid Traditional Name: 5-(2-acetamidoethylamino)-2-nitro-benzoic acid Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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