methyl 2-(7-nitro-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoate

Systemtic Name: methyl 2-(7-nitro-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoate Openeye Name: methyl 2-(7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate CAS Name: 2-(7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate Traditional Name: 2-(2-keto-7-nitro-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid methyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)CCCC2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C(=O)CCCC2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c1-20-13(17)8-14-11-6-5-10(15(18)19)7-9(11)3-2-4-12(14)16/h5-7H,2-4,8H2,1H3