2-[2-(butan-2-yloxycarbonylamino)ethylamino]-4-nitro-benzoic acid

Systemtic Name: 2-[2-(butan-2-yloxycarbonylamino)ethylamino]-4-nitro-benzoic acid Openeye Name: 4-nitro-2-[2-(sec-butoxycarbonylamino)ethylamino]benzoic acid CAS Name: 2-[2-[[butan-2-yloxy(oxo)methyl]amino]ethylamino]-4-nitrobenzoic acid IUPAC Name: 2-[2-(butan-2-yloxycarbonylamino)ethylamino]-4-nitrobenzoic acid Traditional Name: 4-nitro-2-[2-(sec-butoxycarbonylamino)ethylamino]benzoic acid Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-3-9(2)23-14(20)16-7-6-15-12-8-10(17(21)22)4-5-11(12)13(18)19/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,16,20)(H,18,19)