3-nitro-4-[2-(phenylcarbamoyloxy)ethylamino]benzoic acid

Systemtic Name: 3-nitro-4-[2-(phenylcarbamoyloxy)ethylamino]benzoic acid Openeye Name: 3-nitro-4-[2-(phenylcarbamoyloxy)ethylamino]benzoic acid CAS Name: 4-[2-[anilino(oxo)methoxy]ethylamino]-3-nitrobenzoic acid IUPAC Name: 3-nitro-4-[2-(phenylcarbamoyloxy)ethylamino]benzoic acid Traditional Name: 3-nitro-4-[2-(phenylcarbamoyloxy)ethylamino]benzoic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)OCCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)OCCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c20-15(21)11-6-7-13(14(10-11)19(23)24)17-8-9-25-16(22)18-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2,(H,18,22)(H,20,21)