oxolan-3-yl N-[1-[3-[(3-chloranyl-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate

Systemtic Name: oxolan-3-yl N-[1-[3-[(3-chloranyl-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate Openeye Name: tetrahydrofuran-3-yl N-[1-[3-[(3-chloro-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate CAS Name: N-[1-[3-[[(3-chloro-4-isocyanoanilino)-oxomethyl]amino]phenyl]ethyl]carbamic acid 3-oxolanyl ester IUPAC Name: oxolan-3-yl N-[1-[3-[(3-chloro-4-isocyanophenyl)carbamoylamino]phenyl]ethyl]carbamate Traditional Name: N-[1-[3-[(3-chloro-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamic acid tetrahydrofuran-3-yl ester Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)[N+]#[C-])Cl)NC(=O)OC3CCOC3

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)[N+]#[C-])Cl)NC(=O)OC3CCOC3

InChI

InChI=1S/C21H21ClN4O4/c1-13(24-21(28)30-17-8-9-29-12-17)14-4-3-5-15(10-14)25-20(27)26-16-6-7-19(23-2)18(22)11-16/h3-7,10-11,13,17H,8-9,12H2,1H3,(H,24,28)(H2,25,26,27)