(6-carbamimidoylnaphthalen-2-yl) 4-[bis(azanyl)methylideneamino]-3-methyl-benzoate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-[bis(azanyl)methylideneamino]-3-methyl-benzoate Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-guanidino-3-methyl-benzoate CAS Name: 4-(diaminomethylideneamino)-3-methylbenzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)-3-methylbenzoate Traditional Name: 4-guanidino-3-methyl-benzoic acid (6-amidino-2-naphthyl) ester Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N

InChI

InChI=1S/C20H19N5O2/c1-11-8-15(5-7-17(11)25-20(23)24)19(26)27-16-6-4-12-9-14(18(21)22)3-2-13(12)10-16/h2-10H,1H3,(H3,21,22)(H4,23,24,25)