5-azanyl-5-[3-[(3-methoxyphenyl)carbonylamino]phenyl]azaniumylidene-pentanoate

Systemtic Name: 5-azanyl-5-[3-[(3-methoxyphenyl)carbonylamino]phenyl]azaniumylidene-pentanoate Openeye Name: 5-amino-5-[3-[(3-methoxybenzoyl)amino]phenyl]iminio-pentanoate CAS Name: 5-amino-5-[3-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]iminiopentanoate IUPAC Name: 5-amino-5-[3-[(3-methoxybenzoyl)amino]phenyl]azaniumylidenepentanoate Traditional Name: 5-amino-5-[3-(m-anisoylamino)phenyl]iminio-valerate Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)[NH+]=C(CCCC(=O)[O-])N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)[NH+]=C(CCCC(=O)[O-])N

InChI

InChI=1S/C19H21N3O4/c1-26-16-8-2-5-13(11-16)19(25)22-15-7-3-6-14(12-15)21-17(20)9-4-10-18(23)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H2,20,21)(H,22,25)(H,23,24)