1-[2-(2-dimethylaminoethyl)-8-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-5-yl]-3-ethyl-urea

Systemtic Name: 1-[2-(2-dimethylaminoethyl)-8-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-5-yl]-3-ethyl-urea Openeye Name: 1-[2-(2-dimethylaminoethyl)-8-nitro-1,3-dioxo-benzo[de]isoquinolin-5-yl]-3-ethyl-urea CAS Name: 1-[2-(2-dimethylaminoethyl)-8-nitro-1,3-dioxo-5-benzo[de]isoquinolinyl]-3-ethylurea IUPAC Name: 1-[2-(2-dimethylaminoethyl)-8-nitro-1,3-dioxobenzo[de]isoquinolin-5-yl]-3-ethylurea Traditional Name: 1-[2-(2-dimethylaminoethyl)-1,3-diketo-8-nitro-benzo[de]isoquinolin-5-yl]-3-ethyl-urea Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)CCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)CCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5/c1-4-20-19(27)21-12-7-11-8-13(24(28)29)10-15-16(11)14(9-12)17(25)23(18(15)26)6-5-22(2)3/h7-10H,4-6H2,1-3H3,(H2,20,21,27)