1-[bis(azanyl)methylidene]urea; perylene-1-carboxylic acid

Systemtic Name: 1-[bis(azanyl)methylidene]urea; perylene-1-carboxylic acid Openeye Name: diaminomethyleneurea; perylene-1-carboxylic acid CAS Name: diaminomethylideneurea; 1-perylenecarboxylic acid IUPAC Name: diaminomethylideneurea; perylene-1-carboxylic acid Traditional Name: diaminomethyleneurea; perylene-1-carboxylic acid Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=O)O)C3=CC=C2.C(=NC(=O)N)(N)N

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=O)O)C3=CC=C2.C(=NC(=O)N)(N)N

InChI

InChI=1S/C21H12O2.C2H6N4O/c22-21(23)17-11-10-13-6-2-8-15-14-7-1-4-12-5-3-9-16(18(12)14)20(17)19(13)15;3-1(4)6-2(5)7/h1-11H,(H,22,23);(H6,3,4,5,6,7)