(1S,6R)-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(4-quinazolinylhydrazo)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15N4O3- MolecularWeight: 311.3153

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NNC2=NC=NC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NNC2=NC=NC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H16N4O3/c21-15(10-5-1-2-6-11(10)16(22)23)20-19-14-12-7-3-4-8-13(12)17-9-18-14/h1-4,7-11H,5-6H2,(H,20,21)(H,22,23)(H,17,18,19)/p-1/t10-,11+/m1/s1