2-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-chloro-5-nitro-benzamide CAS Name: 2-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-5-nitrobenzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-chloro-5-nitro-benzamide Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N(C1=O)CC=C)C

InChI

InChI=1S/C21H20ClN3O5/c1-4-9-24-17-10-13(5-8-18(17)30-12-21(2,3)20(24)27)23-19(26)15-11-14(25(28)29)6-7-16(15)22/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,26)