1-(1-adamantyl)-3-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]urea Openeye Name: 1-(1-adamantyl)-3-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]urea CAS Name: 1-(1-adamantyl)-3-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]urea IUPAC Name: 1-(1-adamantyl)-3-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]urea Traditional Name: 1-(1-adamantyl)-3-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]urea Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNNC(=O)NC23CC4CC(C2)CC(C4)C3)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNNC(=O)NC23CC4CC(C2)CC(C4)C3)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5/c1-28-16-6-15(23(26)27)5-14(17(16)24)10-20-22-18(25)21-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,10-13,20H,2-4,7-9H2,1H3,(H2,21,22,25)