N-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O6/c1-11-3-4-12(7-15(11)23(26)27)19(25)21-10-18(24)22-14-9-17-16(8-13(14)20)28-5-2-6-29-17/h3-4,7-9H,2,5-6,10H2,1H3,(H,21,25)(H,22,24)