methyl (2S)-2-azanyl-6-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]hexanoate

Systemtic Name: methyl (2S)-2-azanyl-6-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]hexanoate Openeye Name: methyl (2S)-2-amino-6-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)hexanoate CAS Name: (2S)-2-amino-6-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-6-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate Traditional Name: (2S)-2-amino-6-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)hexanoic acid methyl ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O)N

Isomeric SMILES

COC(=O)[C@H](CCCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O)N

InChI

InChI=1S/C19H19N3O6/c1-28-19(25)14(20)7-2-3-10-21-17(23)12-6-4-5-11-15(22(26)27)9-8-13(16(11)12)18(21)24/h4-6,8-9,14H,2-3,7,10,20H2,1H3/t14-/m0/s1