8-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-(tert-butoxycarbonylamino)-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-(tert-butoxycarbonylamino)-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)O

InChI

InChI=1S/C18H17N3O5/c1-18(2,3)26-17(25)21-10-6-9-4-5-11-14(13(9)19-7-10)20-8-12(15(11)22)16(23)24/h4-8,12H,1-3H3,(H,21,25)(H,23,24)