3-nitro-5-(3,3,3-triacetyloxypropanoylamino)benzoic acid

Systemtic Name: 3-nitro-5-(3,3,3-triacetyloxypropanoylamino)benzoic acid Openeye Name: 3-nitro-5-(3,3,3-triacetoxypropanoylamino)benzoic acid CAS Name: 3-nitro-5-[(3,3,3-triacetyloxy-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-nitro-5-(3,3,3-triacetyloxypropanoylamino)benzoic acid Traditional Name: 3-nitro-5-(3,3,3-triacetoxypropanoylamino)benzoic acid Formula: C16H16N2O11 MolecularWeight: 412.30504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O11/c1-8(19)27-16(28-9(2)20,29-10(3)21)7-14(22)17-12-4-11(15(23)24)5-13(6-12)18(25)26/h4-6H,7H2,1-3H3,(H,17,22)(H,23,24)