1-[[5,6-dimethoxy-1,3-bis(oxidanylidene)inden-2-ylidene]amino]-3-phenyl-urea hydrate

Systemtic Name: 1-[[5,6-dimethoxy-1,3-bis(oxidanylidene)inden-2-ylidene]amino]-3-phenyl-urea hydrate Openeye Name: 1-[(5,6-dimethoxy-1,3-dioxo-indan-2-ylidene)amino]-3-phenyl-urea hydrate CAS Name: 1-[(5,6-dimethoxy-1,3-dioxo-2-indenylidene)amino]-3-phenylurea hydrate IUPAC Name: 1-[(5,6-dimethoxy-1,3-dioxoinden-2-ylidene)amino]-3-phenylurea hydrate Traditional Name: 1-[(1,3-diketo-5,6-dimethoxy-indan-2-ylidene)amino]-3-phenyl-urea hydrate Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=NNC(=O)NC3=CC=CC=C3)C2=O)OC.O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=NNC(=O)NC3=CC=CC=C3)C2=O)OC.O

InChI

InChI=1S/C18H15N3O5.H2O/c1-25-13-8-11-12(9-14(13)26-2)17(23)15(16(11)22)20-21-18(24)19-10-6-4-3-5-7-10;/h3-9H,1-2H3,(H2,19,21,24);1H2