ethyl 2-[6-[(2-chloranyl-4-isocyano-phenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate

Systemtic Name: ethyl 2-[6-[(2-chloranyl-4-isocyano-phenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate Openeye Name: ethyl 2-[6-[(2-chloro-4-isocyano-benzoyl)amino]chroman-2-yl]acetate CAS Name: 2-[6-[[(2-chloro-4-isocyanophenyl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(2-chloro-4-isocyanobenzoyl)amino]-3,4-dihydro-2H-chromen-2-yl]acetate Traditional Name: 2-[6-[(2-chloro-4-isocyano-benzoyl)amino]chroman-2-yl]acetic acid ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+]#[C-])Cl

Isomeric SMILES

CCOC(=O)CC1CCC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+]#[C-])Cl

InChI

InChI=1S/C21H19ClN2O4/c1-3-27-20(25)12-16-7-4-13-10-15(6-9-19(13)28-16)24-21(26)17-8-5-14(23-2)11-18(17)22/h5-6,8-11,16H,3-4,7,12H2,1H3,(H,24,26)