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

Systemtic Name: 1-ethyl-3-[8-nitro-1,3-bis(oxidanylidene)-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinolin-5-yl]urea Openeye Name: 1-ethyl-3-[8-nitro-1,3-dioxo-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinolin-5-yl]urea CAS Name: 1-ethyl-3-[8-nitro-1,3-dioxo-2-[2-(1-pyrrolidinyl)ethyl]-5-benzo[de]isoquinolinyl]urea IUPAC Name: 1-ethyl-3-[8-nitro-1,3-dioxo-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinolin-5-yl]urea Traditional Name: 1-[1,3-diketo-8-nitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinolin-5-yl]-3-ethyl-urea Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)CCN4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)CCN4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c1-2-22-21(29)23-14-9-13-10-15(26(30)31)12-17-18(13)16(11-14)19(27)25(20(17)28)8-7-24-5-3-4-6-24/h9-12H,2-8H2,1H3,(H2,22,23,29)