N-[bis(azanyl)methylidene]-6-methyl-2-(4-nitrophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide hydrate hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-6-methyl-2-(4-nitrophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide hydrate hydrochloride Openeye Name: N-(diaminomethylene)-6-methyl-2-(4-nitrophenyl)-1-oxo-isoquinoline-4-carboxamide hydrate hydrochloride CAS Name: N-(diaminomethylidene)-6-methyl-2-(4-nitrophenyl)-1-oxo-4-isoquinolinecarboxamide hydrate hydrochloride IUPAC Name: N-(diaminomethylidene)-6-methyl-2-(4-nitrophenyl)-1-oxoisoquinoline-4-carboxamide hydrate hydrochloride Traditional Name: N-(diaminomethylene)-1-keto-6-methyl-2-(4-nitrophenyl)isoquinoline-4-carboxamide hydrate hydrochloride Formula: C18H18ClN5O5 MolecularWeight: 419.81902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C=C2C(=O)N=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].O.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=C2C(=O)N=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C18H15N5O4.ClH.H2O/c1-10-2-7-13-14(8-10)15(16(24)21-18(19)20)9-22(17(13)25)11-3-5-12(6-4-11)23(26)27;;/h2-9H,1H3,(H4,19,20,21,24);1H;1H2